SCHEMBL7656331

SCHEMBL7656331

Cc1nc2ccc(C(=O)O)cc2n1Cc1ccc(I)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.52
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
DCTPP1 Q9H773 2/20 0.41
ACSS2 Q9NR19 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RHEB Q15382 1/20 0.40
AGTR1 P30556 4/20 0.39
AGTR2 P50052 4/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7651458 0.92 PPARG (0.56) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6170044 0.89 PPARG (0.64) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6304484 0.87 PPARG (0.51) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6309778 0.87 PPARG (0.52) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6309647 0.86 PPARG (0.54) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6169166 0.85 PPARG (0.57) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6307363 0.85 PPARG (0.51) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6308619 0.85 DCTPP1 (0.51) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303642 0.85 PPARG (0.51) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7654594 0.84 PPARG (0.52) PPARGHDAC1HDAC6HDAC3HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed